N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine

C57H39NOS — CID 177280961

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)49-21-11-8-17-43(49)44-30-28-39(34-50(44)57)58(40-29-31-46-45-18-9-12-22-51(45)59-52(46)35-40)38-26-24-37(25-27-38)42-32-33-54-56(48-20-10-13-23-53(48)60-54)55(42)47-19-7-6-16-41(47)36-14-4-3-5-15-36/h3-35H,1-2H3
InChIKeyASWBXHSEXKLFAN-UHFFFAOYSA-N
MW786.01 g/mol
LogP16.73
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 177280961) has the molecular formula C57H39NOS and a molecular weight of 786.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID177280961
Molecular FormulaC57H39NOS
Molecular Weight786.01 g/mol
Exact Mass785.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)49-21-11-8-17-43(49)44-30-28-39(34-50(44)57)58(40-29-31-46-45-18-9-12-22-51(45)59-52(46)35-40)38-26-24-37(25-27-38)42-32-33-54-56(48-20-10-13-23-53(48)60-54)55(42)47-19-7-6-16-41(47)36-14-4-3-5-15-36/h3-35H,1-2H3
InChIKeyASWBXHSEXKLFAN-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
N-(9,9-dimethylfluoren-2-yl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)dibenzofuran-3-amine
CID 130464815
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-dibenzothiophen-2-yl-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-phenyl-N-(20,20,21,21-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-yl)dibenzofuran-3-amine
CID 163871161
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165017896
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (CID 177280961) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is ASWBXHSEXKLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOS/c1-57(2)49-21-11-8-17-43(49)44-30-28-39(34-50(44)57)58(40-29-31-46-45-18-9-12-22-51(45)59-52(46)35-40)38-26-24-37(25-27-38)42-32-33-54-56(48-20-10-13-23-53(48)60-54)55(42)47-19-7-6-16-41(47)36-14-4-3-5-15-36/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 786.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177280961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).